CID 976710

Acetophenone, 4'-(2-piperidinoethoxy)-

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(=O)C1=CC=C(C=C1)OCCN2CCCCC2
InChI
InChI=1S/C15H21NO2/c1-13(17)14-5-7-15(8-6-14)18-12-11-16-9-3-2-4-10-16/h5-8H,2-4,9-12H2,1H3
InChIKey
LXOOVOCUAZETDF-UHFFFAOYSA-N
Compound name
1-[4-(2-piperidin-1-ylethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

247.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 158.8
[M+Na]+ 270.14645 162.6
[M-H]- 246.14995 162.7
[M+NH4]+ 265.19105 174.0
[M+K]+ 286.12039 160.0
[M+H-H2O]+ 230.15449 150.2
[M+HCOO]- 292.15543 176.8
[M+CH3COO]- 306.17108 193.9
[M+Na-2H]- 268.13190 161.4
[M]+ 247.15668 156.3
[M]- 247.15778 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe